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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03356516

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PAZN-[(2R)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanine
A,B,C,D,E,F3BF30.83
PCO2,4-DIHYDROXY-N-[2-(2-MERCAPTO-
VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-
BUTYRAMIDE
A1MVN0.8
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.84
SXHS-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanyl}amino)ethyl] hexanethioate
A2KGA0.7
SXDN-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-
N~3~-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alaninamide
A2KGE0.7
XDLXYLOSE-DERIVED ISOFAGOMINE LACTAMA1OD80.74
SXATHIOACETIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER
A2KG60.77
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.87
PAUPANTOTHENOIC ACIDA,B2F9W0.92
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.92
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.92
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.92
PM4S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-
3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE
A,B2FAC0.71
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.77
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.71
THCN-METHYLCARBONYLTHREONINEB2HR00.71
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.71
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.73
SXM3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanyl}amino)ethyl]sulfanyl}-3-
oxopropanoic acid
A2KG80.7
PNS4'-PHOSPHOPANTETHEINEA,B1QJC0.8
PNS4'-PHOSPHOPANTETHEINEA2FVA0.8
PNS4'-PHOSPHOPANTETHEINEA,B,C,D,E,F1VLH0.8
PNS4'-PHOSPHOPANTETHEINEA2KJS0.8
PNS4'-PHOSPHOPANTETHEINEA1OD60.8
PNS4'-PHOSPHOPANTETHEINEA,B3GZM0.8
PNS4'-PHOSPHOPANTETHEINEA2FQ20.8
PNS4'-PHOSPHOPANTETHEINEA2FVF0.8
PNS4'-PHOSPHOPANTETHEINEA,B1H1T0.8
PNS4'-PHOSPHOPANTETHEINEA2K0X0.8
PNS4'-PHOSPHOPANTETHEINEA2FQ00.8
PNS4'-PHOSPHOPANTETHEINEA3GZL0.8
SXVN~3~-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-N-{2-
[(3-oxobutyl)sulfanyl]ethyl}-beta-
alaninamide
A2KGD0.75
PSRTHIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER
A1L0I0.76
PSRTHIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER
A2KG90.76
PN5(3R)-3-hydroxy-2,2-dimethyl-4-oxo-
4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-
dimethylpropanoate
A,B2VU20.8
PN2A,D,E,F1F800.73